1-[2-(3,4-dimethoxyphenyl)ethylamino]-3-(2,6-dimethylphenoxy)propan-2-ol; ethanedioic acid

Systemtic Name: 1-[2-(3,4-dimethoxyphenyl)ethylamino]-3-(2,6-dimethylphenoxy)propan-2-ol; ethanedioic acid Openeye Name: 1-[2-(3,4-dimethoxyphenyl)ethylamino]-3-(2,6-dimethylphenoxy)propan-2-ol; oxalic acid CAS Name: 1-[2-(3,4-dimethoxyphenyl)ethylamino]-3-(2,6-dimethylphenoxy)-2-propanol; oxalic acid IUPAC Name: 1-[2-(3,4-dimethoxyphenyl)ethylamino]-3-(2,6-dimethylphenoxy)propan-2-ol; oxalic acid Traditional Name: 1-(2,6-dimethylphenoxy)-3-(homoveratrylamino)propan-2-ol; oxalic acid Formula: C23H31NO8 MolecularWeight: 449.49414

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)OCC(CNCCC2=CC(=C(C=C2)OC)OC)O.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=C(C(=CC=C1)C)OCC(CNCCC2=CC(=C(C=C2)OC)OC)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C21H29NO4.C2H2O4/c1-15-6-5-7-16(2)21(15)26-14-18(23)13-22-11-10-17-8-9-19(24-3)20(12-17)25-4;3-1(4)2(5)6/h5-9,12,18,22-23H,10-11,13-14H2,1-4H3;(H,3,4)(H,5,6)